- InChI
- InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
- InChI Key
- GWEHVDNNLFDJLR-UHFFFAOYSA-N
- Formula
- C13H12N2O
- SMILES
- O=C(Nc1ccccc1)Nc1ccccc1
- Molecular Weight1
- 212.25
- Other Names
-
- 1,3-Diphenylcarbamide
- 1,3-Diphenylurea
- AD 30
- Acardite
- Acardite I
- Carbanilide
- Diphenylcarbamide
- Diphenylurea
- Karbanilid
- N,N'-Difenylmocovina
- N,N'-Diphenylurea
- N-Phenyl-N'-phenylurea
- NSC 227401
- USAF EK-534
- Urea, 1,3-diphenyl-
- s-Diphenylurea
- sym-Diphenylurea
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6523 | Relay (1.0) Calculated Property | |
| ΔfG° | 333.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 15.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -116.80 ± 4.40 | kJ/mol | NIST |
| ΔfusH° | 29.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.74 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.15; -3.15] |
|
|
| log10WS | -3.15 | Aq. Solubility Prediction | |
| log10WS | -3.15 | Estimated Solubility | |
| logPoct/wat | 3.331 | Crippen Calculated Property | |
| McVol | 168.040 | ml/mol | McGowan Calculated Property |
| Pc | 3399.94 | kPa | Joback Calculated Property |
| Tboil | 535.20 | K | NIST |
| Tc | 959.23 | K | Relay (1.0) Calculated Property |
| Tfus | [510.15; 512.10] | K |
|
| Tfus | 512.10 ± 3.00 | K | NIST |
| Tfus | 510.15 ± 2.00 | K | NIST |
| Vc | 0.600 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [34.60; 34.62] | kJ/mol | [512.00; 512.10] |
|
| ΔfusH | 34.60 | kJ/mol | 512.00 | NIST |
| ΔfusH | 34.62 | kJ/mol | 512.10 | NIST |
| ΔfusH | 34.62 | kJ/mol | 512.10 | NIST |
| ΔfusH | 34.62 | kJ/mol | 512.10 | NIST |
| ΔsubH | 152.00 ± 6.00 | kJ/mol | 464.50 | NIST |
| ΔfusS | 66.50 | J/mol×K | 512.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.04; 515.76] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.18000e+01 | |||
| Coefficient B | 1.20540e+00 | |||
| Coefficient C | -8.24300e-04 | |||
| Coefficient D | 2.06460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 200.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 313.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 358.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 397.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 430.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 458.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 481.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 500.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 515.76 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Urea, N,N'-diphenyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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